2,3-dibromoquinoline

C9H5Br2N — CID 817315

IUPAC2,3-dibromoquinoline
SMILESBrc1cc2ccccc2nc1Br
InChIInChI=1S/C9H5Br2N/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H
InChIKeyKWVPZTJLHQKCKD-UHFFFAOYSA-N
MW286.95 g/mol
LogP3.76
Rot. Bonds

About 2,3-dibromoquinoline

2,3-dibromoquinoline (PubChem CID 817315) has the molecular formula C9H5Br2N and a molecular weight of 286.95 g/mol. Its IUPAC name is 2,3-dibromoquinoline.

Molecular Properties

Compound Name2,3-dibromoquinoline
PubChem CID817315
Molecular FormulaC9H5Br2N
Molecular Weight286.95 g/mol
Exact Mass284.88
IUPAC Name2,3-dibromoquinoline
SMILESBrc1cc2ccccc2nc1Br
InChIInChI=1S/C9H5Br2N/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H
InChIKeyKWVPZTJLHQKCKD-UHFFFAOYSA-N
XLogP3.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.95
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromoquinoline?
The IUPAC name of 2,3-dibromoquinoline (CID 817315) is 2,3-dibromoquinoline.
What is the SMILES notation for 2,3-dibromoquinoline?
The canonical SMILES for 2,3-dibromoquinoline is Brc1cc2ccccc2nc1Br.
What is the InChIKey of 2,3-dibromoquinoline?
The InChIKey is KWVPZTJLHQKCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2N/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H.
What are the key properties of 2,3-dibromoquinoline?
2,3-dibromoquinoline has a molecular weight of 286.95 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromoquinoline is sourced from PubChem (CID 817315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).